N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline

C199H156N4O3 — CID 159910131

IUPACN-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc(-c3cccc4ccccc34)cc1)c1c2oc2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4c6c(cc(-c7ccc8c(c7)C7(C)CCCCC7(C)N8c7ccccc7)c45)C(C)(C)c4ccccc4-6)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3c5c(cc(-c6cccc7ccccc67)c34)C(C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C77H66N2O.C61H47NO.C61H43NO/c1-73(2)61-28-15-12-23-54(61)56-38-36-51(44-64(56)73)78(52-37-39-57-55-24-13-16-29-62(55)74(3,4)65(57)45-52)49-34-31-47(32-35-49)53-26-20-27-59-69-60(46-67-70(72(69)80-71(53)59)58-25-14-17-30-63(58)75(67,5)6)48-33-40-68-66(43-48)76(7)41-18-19-42-77(76,8)79(68)50-21-10-9-11-22-50;1-59(2)48-25-12-9-20-41(48)43-31-29-37(33-51(43)59)62(38-30-32-44-42-21-10-13-26-49(42)60(3,4)52(44)34-38)54-28-16-24-46-55-47(40-23-15-18-36-17-7-8-19-39(36)40)35-53-56(58(55)63-57(46)54)45-22-11-14-27-50(45)61(53,5)6;1-61(2)55-26-12-11-22-52(55)58-56(61)39-54(45-29-27-43(28-30-45)50-23-13-18-42-17-9-10-21-49(42)50)57-53-25-14-24-51(59(53)63-60(57)58)44-33-37-48(38-34-44)62(46-19-7-4-8-20-46)47-35-31-41(32-36-47)40-15-5-3-6-16-40/h9-17,20-40,43-46H,18-19,41-42H2,1-8H3;7-35H,1-6H3;3-39H,1-2H3
InChIKeyNXBULGPQRBDVGT-UHFFFAOYSA-N
MW2651.46 g/mol
LogP55.03
Rot. Bonds17

About N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline

N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline (PubChem CID 159910131) has the molecular formula C199H156N4O3 and a molecular weight of 2651.46 g/mol. Its IUPAC name is N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
PubChem CID159910131
Molecular FormulaC199H156N4O3
Molecular Weight2651.46 g/mol
Exact Mass2649.22
IUPAC NameN-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc(-c3cccc4ccccc34)cc1)c1c2oc2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4c6c(cc(-c7ccc8c(c7)C7(C)CCCCC7(C)N8c7ccccc7)c45)C(C)(C)c4ccccc4-6)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3c5c(cc(-c6cccc7ccccc67)c34)C(C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C77H66N2O.C61H47NO.C61H43NO/c1-73(2)61-28-15-12-23-54(61)56-38-36-51(44-64(56)73)78(52-37-39-57-55-24-13-16-29-62(55)74(3,4)65(57)45-52)49-34-31-47(32-35-49)53-26-20-27-59-69-60(46-67-70(72(69)80-71(53)59)58-25-14-17-30-63(58)75(67,5)6)48-33-40-68-66(43-48)76(7)41-18-19-42-77(76,8)79(68)50-21-10-9-11-22-50;1-59(2)48-25-12-9-20-41(48)43-31-29-37(33-51(43)59)62(38-30-32-44-42-21-10-13-26-49(42)60(3,4)52(44)34-38)54-28-16-24-46-55-47(40-23-15-18-36-17-7-8-19-39(36)40)35-53-56(58(55)63-57(46)54)45-22-11-14-27-50(45)61(53,5)6;1-61(2)55-26-12-11-22-52(55)58-56(61)39-54(45-29-27-43(28-30-45)50-23-13-18-42-17-9-10-21-49(42)50)57-53-25-14-24-51(59(53)63-60(57)58)44-33-37-48(38-34-44)62(46-19-7-4-8-20-46)47-35-31-41(32-36-47)40-15-5-3-6-16-40/h9-17,20-40,43-46H,18-19,41-42H2,1-8H3;7-35H,1-6H3;3-39H,1-2H3
InChIKeyNXBULGPQRBDVGT-UHFFFAOYSA-N
XLogP55.03
TPSA52.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms206
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002651.46
LogP ≤ 555.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline with MolForge

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Related Compounds

N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[4-[7,7-dimethyl-5-[4-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)phenyl]fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 158087359
N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161043494
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 158377953
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
1-N-(9,9-dimethylfluoren-2-yl)-4-N-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-[4-(N-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1-N-[4-[4-(N-[4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)anilino]phenyl]phenyl]-1-N-phenyl-1-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 158953049
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 139568275
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline (CID 159910131) is N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline is CC1(C)c2ccccc2-c2c1cc(-c1ccc(-c3cccc4ccccc34)cc1)c1c2oc2c(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4c6c(cc(-c7ccc8c(c7)C7(C)CCCCC7(C)N8c7ccccc7)c45)C(C)(C)c4ccccc4-6)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3c5c(cc(-c6cccc7ccccc67)c34)C(C)(C)c3ccccc3-5)cc21.
What is the InChIKey of N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is NXBULGPQRBDVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H66N2O.C61H47NO.C61H43NO/c1-73(2)61-28-15-12-23-54(61)56-38-36-51(44-64(56)73)78(52-37-39-57-55-24-13-16-29-62(55)74(3,4)65(57)45-52)49-34-31-47(32-35-49)53-26-20-27-59-69-60(46-67-70(72(69)80-71(53)59)58-25-14-17-30-63(58)75(67,5)6)48-33-40-68-66(43-48)76(7)41-18-19-42-77(76,8)79(68)50-21-10-9-11-22-50;1-59(2)48-25-12-9-20-41(48)43-31-29-37(33-51(43)59)62(38-30-32-44-42-21-10-13-26-49(42)60(3,4)52(44)34-38)54-28-16-24-46-55-47(40-23-15-18-36-17-7-8-19-39(36)40)35-53-56(58(55)63-57(46)54)45-22-11-14-27-50(45)61(53,5)6;1-61(2)55-26-12-11-22-52(55)58-56(61)39-54(45-29-27-43(28-30-45)50-23-13-18-42-17-9-10-21-49(42)50)57-53-25-14-24-51(59(53)63-60(57)58)44-33-37-48(38-34-44)62(46-19-7-4-8-20-46)47-35-31-41(32-36-47)40-15-5-3-6-16-40/h9-17,20-40,43-46H,18-19,41-42H2,1-8H3;7-35H,1-6H3;3-39H,1-2H3.
What are the key properties of N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline?
N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 2651.46 g/mol, XLogP of 55.03, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4b,8a-dimethyl-9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-1-amine;N-[4-[7,7-dimethyl-5-(4-naphthalen-1-ylphenyl)fluoreno[4,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 159910131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).